SCHEMBL26439273

SCHEMBL26439273

CC(C)(C)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)Nc1ccc(COC=O)cc1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SSTR3 P32745 1/20 0.53
▸ CALCRL Q16602 1/20 0.47
▸ LTA4H P09960 1/20 0.46
▸ ECE1 P42892 1/20 0.43
▸ MMP3 P08254 3/20 0.43
▸ MMP1 P03956 2/20 0.43
▸ SIRT1 Q96EB6 2/20 0.42
▸ SIRT2 Q8IXJ6 1/20 0.42
▸ PLG P00747 1/20 0.41
▸ PDF Q9HBH1 1/20 0.41
▸ KDM1A O60341 3/20 0.41
▸ MAOA P21397 2/20 0.41
▸ KDM1B Q8NB78 1/20 0.41
▸ RCOR1 Q9UKL0 1/20 0.41
▸ MMP9 P14780 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL12245289 0.91 SSTR3 (0.53) SSTR3CALCRLLTA4HECE1MMP3
SCHEMBL22010347 0.89 SSTR3 (0.51) SSTR3CALCRLLTA4HECE1MMP3
SCHEMBL19340304 0.87 SSTR3 (0.51) SSTR3CALCRLLTA4HECE1MMP3
SCHEMBL20133503 0.81 MMP3 (0.47) SSTR3CALCRLLTA4HMMP3MMP1
SCHEMBL24472056 0.80 SSTR3 (0.55) SSTR3CALCRLLTA4HECE1MMP3
SCHEMBL24766216 0.80 GNPAT (0.60) SSTR3CALCRLECE1MMP3MMP1
SCHEMBL23682519 0.80 GNPAT (0.48) SSTR3CALCRLECE1MMP3MMP1
SCHEMBL24476084 0.80 GNPAT (0.48) SSTR3CALCRLECE1MMP3MMP1
SCHEMBL18811838 0.80 GNPAT (0.48) SSTR3CALCRLECE1MMP3MMP1
SCHEMBL14821040 0.79 SSTR3 (0.55) SSTR3CALCRLLTA4HECE1MMP3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11638760-B2 Pyrrolobenzodiazepine antibody conjugates MERSANA THERAPEUTICS, INC. (US) 2023-05-02 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-11638760-B2 Pyrrolobenzodiazepine antibody conjugates GABRA4, GABRA1, GABRA2 SSTR3 622/4885CALCRL 3449/4885LTA4H 3055/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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